2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide

C44H44Cl3F3N12O4 — CID 161157772

IUPAC2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCN(C)c1cncc(Oc2ccc(F)cc2)n1.CNCCN(C)c1cncc(Oc2ccc(F)cc2)n1.Clc1cncc(Cl)n1.Fc1ccc(Oc2cncc(Cl)n2)cc1
InChIInChI=1S/C16H19FN4O2.C14H17FN4O.C10H6ClFN2O.C4H2Cl2N2/c1-12(22)20(2)8-9-21(3)15-10-18-11-16(19-15)23-14-6-4-13(17)5-7-14;1-16-7-8-19(2)13-9-17-10-14(18-13)20-12-5-3-11(15)4-6-12;11-9-5-13-6-10(14-9)15-8-3-1-7(12)2-4-8;5-3-1-7-2-4(6)8-3/h4-7,10-11H,8-9H2,1-3H3;3-6,9-10,16H,7-8H2,1-2H3;1-6H;1-2H
InChIKeyUPNDSBNUNXCYLJ-UHFFFAOYSA-N
MW968.27 g/mol
LogP9.23
Rot. Bonds14

About 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide

2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide (PubChem CID 161157772) has the molecular formula C44H44Cl3F3N12O4 and a molecular weight of 968.27 g/mol. Its IUPAC name is 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide
PubChem CID161157772
Molecular FormulaC44H44Cl3F3N12O4
Molecular Weight968.27 g/mol
Exact Mass966.26
IUPAC Name2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCN(C)c1cncc(Oc2ccc(F)cc2)n1.CNCCN(C)c1cncc(Oc2ccc(F)cc2)n1.Clc1cncc(Cl)n1.Fc1ccc(Oc2cncc(Cl)n2)cc1
InChIInChI=1S/C16H19FN4O2.C14H17FN4O.C10H6ClFN2O.C4H2Cl2N2/c1-12(22)20(2)8-9-21(3)15-10-18-11-16(19-15)23-14-6-4-13(17)5-7-14;1-16-7-8-19(2)13-9-17-10-14(18-13)20-12-5-3-11(15)4-6-12;11-9-5-13-6-10(14-9)15-8-3-1-7(12)2-4-8;5-3-1-7-2-4(6)8-3/h4-7,10-11H,8-9H2,1-3H3;3-6,9-10,16H,7-8H2,1-2H3;1-6H;1-2H
InChIKeyUPNDSBNUNXCYLJ-UHFFFAOYSA-N
XLogP9.23
TPSA169.63 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500968.27
LogP ≤ 59.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide with MolForge

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Related Compounds

N-ethyl-N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]amino]ethyl]acetamide
CID 117813024
N-ethyl-N-[2-[[6-(3-fluorophenoxy)pyrazin-2-yl]amino]ethyl]acetamide
CID 117813508
2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide
CID 158525434
2,3-dichloropyrazine;1-[2-(4-fluorophenoxy)ethyl]piperazine;3-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 160949360
3-chloro-N-[1-(2-phenoxyethyl)piperidin-4-yl]pyrazin-2-amine;methane;3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]-1H-pyrazin-2-one;iodide;hydrochloride
CID 161881008

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide?
The IUPAC name of 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide (CID 161157772) is 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide is CC(=O)N(C)CCN(C)c1cncc(Oc2ccc(F)cc2)n1.CNCCN(C)c1cncc(Oc2ccc(F)cc2)n1.Clc1cncc(Cl)n1.Fc1ccc(Oc2cncc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide?
The InChIKey is UPNDSBNUNXCYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2.C14H17FN4O.C10H6ClFN2O.C4H2Cl2N2/c1-12(22)20(2)8-9-21(3)15-10-18-11-16(19-15)23-14-6-4-13(17)5-7-14;1-16-7-8-19(2)13-9-17-10-14(18-13)20-12-5-3-11(15)4-6-12;11-9-5-13-6-10(14-9)15-8-3-1-7(12)2-4-8;5-3-1-7-2-4(6)8-3/h4-7,10-11H,8-9H2,1-3H3;3-6,9-10,16H,7-8H2,1-2H3;1-6H;1-2H.
What are the key properties of 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide?
2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide has a molecular weight of 968.27 g/mol, XLogP of 9.23, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluorophenoxy)pyrazine;2,6-dichloropyrazine;N'-[6-(4-fluorophenoxy)pyrazin-2-yl]-N,N'-dimethylethane-1,2-diamine;N-[2-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]ethyl]-N-methylacetamide is sourced from PubChem (CID 161157772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).